Ethyl 4-amino-5-cyano-3-ethoxy-2-hydroxybenzoate
TL;DR: Ethyl 4-amino-5-cyano-3-ethoxy-2-hydroxybenzoate (CAS 126930-26-5) is a chemical compound with molecular formula C12H14N2O4 and molecular weight 250.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-amino-5-cyano-3-ethoxy-2-hydroxybenzoate
Also Known As: ethyl 4-amino-5-cyano-3-ethoxy-2-hydroxybenzoate, Ethyl 4-amino-5-cyano-3-ethoxy-2-hydroxy-benzoate, 4-amino-5-cyano-3-ethoxy-2-hydroxy-benzoic acid ethyl ester
| Molecular Formula | C12H14N2O4 |
|---|---|
| Molecular Weight | 250.10 g/mol |
| LogP | 1.42148 |
| Topological Polar Surface Area | 105.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.09535 |
| Heavy Atoms | 18 |
| Complexity | 505.77936 |
Chemical Identifiers
| CAS Number | 126930-26-5 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1O)C(=O)OCC)C#N)N |
Product Overview
Ethyl 4-amino-5-cyano-3-ethoxy-2-hydroxybenzoate (CAS 126930-26-5), with molecular formula C12H14N2O4 and molecular weight 250.10 g/mol. IUPAC: ethyl 4-amino-5-cyano-3-ethoxy-2-hydroxybenzoate.
Chemical Property Profile of Ethyl 4-amino-5-cyano-3-ethoxy-2-hydroxybenzoate
Property Insights of Ethyl 4-amino-5-cyano-3-ethoxy-2-hydroxybenzoate
The XLogP value of 1.42148 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-amino-5-cyano-3-ethoxy-2-hydroxybenzoate. The TPSA of 105.57 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-amino-5-cyano-3-ethoxy-2-hydroxybenzoate. Following Lipinski's Rule of Five, Ethyl 4-amino-5-cyano-3-ethoxy-2-hydroxybenzoate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 4-amino-5-cyano-3-ethoxy-2-hydroxybenzoate?
The CAS number of Ethyl 4-amino-5-cyano-3-ethoxy-2-hydroxybenzoate is 126930-26-5.
What is the molecular formula of Ethyl 4-amino-5-cyano-3-ethoxy-2-hydroxybenzoate?
The molecular formula of Ethyl 4-amino-5-cyano-3-ethoxy-2-hydroxybenzoate is C12H14N2O4.
What is the molecular weight of Ethyl 4-amino-5-cyano-3-ethoxy-2-hydroxybenzoate?
The molecular weight of Ethyl 4-amino-5-cyano-3-ethoxy-2-hydroxybenzoate is 250.10 g/mol.
Where can I buy Ethyl 4-amino-5-cyano-3-ethoxy-2-hydroxybenzoate?
You can request a quote for Ethyl 4-amino-5-cyano-3-ethoxy-2-hydroxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-amino-5-cyano-3-ethoxy-2-hydroxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-amino-5-cyano-3-ethoxy-2-hydroxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.